methoxy(diphenyl)sulfanium tetrafluoroborate

C13H13BF4OS — CID 88519943

IUPACmethoxy(diphenyl)sulfanium tetrafluoroborate
SMILESCO[S+](c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C13H13OS.BF4/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2-1(3,4)5/h2-11H,1H3;/q+1;-1
InChIKeyHHYGNDRQGWHFJG-UHFFFAOYSA-N
MW304.12 g/mol
LogP4.58
Rot. Bonds3

About methoxy(diphenyl)sulfanium tetrafluoroborate

methoxy(diphenyl)sulfanium tetrafluoroborate (PubChem CID 88519943) has the molecular formula C13H13BF4OS and a molecular weight of 304.12 g/mol. Its IUPAC name is methoxy(diphenyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Namemethoxy(diphenyl)sulfanium tetrafluoroborate
PubChem CID88519943
Molecular FormulaC13H13BF4OS
Molecular Weight304.12 g/mol
Exact Mass304.07
IUPAC Namemethoxy(diphenyl)sulfanium tetrafluoroborate
SMILESCO[S+](c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C13H13OS.BF4/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2-1(3,4)5/h2-11H,1H3;/q+1;-1
InChIKeyHHYGNDRQGWHFJG-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxy(diphenyl)sulfanium tetrafluoroborate?
The IUPAC name of methoxy(diphenyl)sulfanium tetrafluoroborate (CID 88519943) is methoxy(diphenyl)sulfanium tetrafluoroborate.
What is the SMILES notation for methoxy(diphenyl)sulfanium tetrafluoroborate?
The canonical SMILES for methoxy(diphenyl)sulfanium tetrafluoroborate is CO[S+](c1ccccc1)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of methoxy(diphenyl)sulfanium tetrafluoroborate?
The InChIKey is HHYGNDRQGWHFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13OS.BF4/c1-14-15(12-8-4-2-5-9-12)13-10-6-3-7-11-13;2-1(3,4)5/h2-11H,1H3;/q+1;-1.
What are the key properties of methoxy(diphenyl)sulfanium tetrafluoroborate?
methoxy(diphenyl)sulfanium tetrafluoroborate has a molecular weight of 304.12 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(diphenyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 88519943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).